N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranyl-6-methyl-quinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloranyl-6-methyl-quinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-methyl-4-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-methyl-4-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chloro-6-methylquinolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-chloro-6-methyl-4-quinolyl)thio]-N-piperonyl-acetamide Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-12-2-4-15-14(6-12)18(8-19(21)23-15)27-10-20(24)22-9-13-3-5-16-17(7-13)26-11-25-16/h2-8H,9-11H2,1H3,(H,22,24)